Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.7594   -1.3399    0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145   -0.1513    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0185    0.2676   -0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7314    1.5474   -0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5556    2.0085   -0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5956    1.1655   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768   -0.1058    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -0.5234    0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4679   -1.0462    0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402   -1.5356    0.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0256   -2.0580    0.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1901    0.5835   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732    2.1850   -0.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7502    3.0025   -1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6491    1.4535   -0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1209   -1.5210    0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519   -0.5695    0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537   -1.4122    1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4085   -1.9507   -0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers